Hortiacine
PubChem CID: 378227
Connections displayed (default: 10).
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| Compound Synonyms | 10-Methoxylrutaecarpine, CHEMBL85826, MLS000076384, SMR000013006, Hortiacine, SR-01000366081, NSC660030, Opera_ID_833, Oprea1_495321, cid_378227, HMS1691I06, HMS2328H18, BDBM50131053, AKOS024284576, NSC-660030, 10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one, Hortiamine (13,13b-Dehydroevodiamine), NCI60_021077, AH-262/34343009, SR-01000366081-1, SR-01000366081-3, 10-Methoxy-8,13-dihydro-7H-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5-one |
|---|---|
| Topological Polar Surface Area | 57.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 563.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1603, NPT208, NPT1604, NPT48, NPT1038, NPT37, NPT537, NPT93, NPT51, NPT94, NPT108, NPT538, NPT151, NPT539, NPT59 |
| Xlogp | 3.0 |
| Molecular Formula | C19H15N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JNHSRGXMKPJTEV-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -5.871 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.446 |
| Compound Name | Hortiacine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 317.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 317.116 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 317.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.822190933333334 |
| Inchi | InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)NC3=C2CCN4C3=NC5=CC=CC=C5C4=O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alchornea Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Amomum Daniellii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Atalantia Wightii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Balanophora Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Corydalis Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Corynanthe Pachyceras (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Cota Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Cynoglossum Amabile (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Glycosmis Pseudoracemosa (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Inula Grantioides (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Juniperus Horizontalis (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Lathyrus Tingitanus (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Peucedanum Oroselinum (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Plectranthus Caninus (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Strychnos Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Tetradium Glabrifolium (Plant) Rel Props:Source_db:cmaup_ingredients