Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18522
- Core Entity Id
- 23765
- Source Entity Count
- 1
- Preferred Name
- Erysopine
- Name En
- Pubchem Id
- 21679844
- Smiles Canonical
- COC1CC23C(=CCN2CCC4=CC(=C(C=C34)O)O)C=C1
- Molecular Formula
- C17H19NO3
- Molecular Weight
- 285.3430
- Inchikey
- GNBQGLMYBIWCOO-GUYCJALGSA-N
- Inchi
- InChI=1S/C17H19NO3/c1-21-13-3-2-12-5-7-18-6-4-11-8-15(19)16(20)9-14(11)17(12,18)10-13/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3/t13-,17-/m0/s1
- Isomeric Smiles
- CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)O)O)C=C1
- Cas Id
- Ob Score
- Mol Logp
- 2.0661
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erysopine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erysopine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erysopine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
erysopine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-11,12-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-11,12-diol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-11,12-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025671
Npass
NPC271547
Tcmid
7324
Tcm Id
2256122562
Pub Chem
21679844
Tcmbank
TCMBANKIN031319
Etcm Ingredient
Erysopine
Itcmdb Generated
ITX-INGREDIENT-0ECA4CDA4A5F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H19NO3/c1-21-13-3-2-12-5-7-18-6-4-11-8-15(19)16(20)9-14(11)17(12,18)10-13/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3/t13-,17-/m0/s1
Mol Wt
285.343
Smiles
COC1CC23C(=CCN2CCC4=CC(=C(C=C34)O)O)C=C1
Mol Log P
2.0661
In Ch Ikey
GNBQGLMYBIWCOO-GUYCJALGSA-N
Num Hdonors
2
Drug Likeness
0.776
Num Hacceptors
4
Isomeric Smiles
CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)O)O)C=C1
Canonical Smiles
COC1CC23C(=CCN2CCC4=CC(=C(C=C34)O)O)C=C1
Herb Alias Names
(2R,13bS)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-11,12-diol
Molecular Weight
285.140
Molecular Weight
285.34 g/mol
Molecular Formula
C17H19NO3
Molecular Formula
C17H19NO3
Molecular Formula
C17H19NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.956
Quantitative Estimate Of Drug Likeness（Qed）
0.776