Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18559
- Core Entity Id
- 23806
- Source Entity Count
- 1
- Preferred Name
- Erythroculine
- Name En
- Pubchem Id
- 5317208
- Smiles Canonical
- COC1CC=C2CCN3C2(C1)C4=C(CC3)C=C(C(=C4)C(=O)OC)OC
- Molecular Formula
- C20H25NO4
- Molecular Weight
- 343.4230
- Inchikey
- PPFOELFAZNRRHY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H25NO4/c1-23-15-5-4-14-7-9-21-8-6-13-10-18(24-2)16(19(22)25-3)11-17(13)20(14,21)12-15/h4,10-11,15H,5-9,12H2,1-3H3
- Isomeric Smiles
- COC1CC=C2CCN3C2(C1)C4=CC(=C(C=C4CC3)OC)C(=O)OC
- Cas Id
- 22150-96-5
- Ob Score
- 63.3636
- Mol Logp
- 2.6741
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erythroculine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Erythroculine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Erythroculine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erythroculine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Erythroculine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
AC1NSV8C
Role
alias
Source
TCMBank
Preferred
No
Name
erythroculine
Role
alias
Source
TCMBank
Preferred
No
Name
methyl 2,11-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-12-carboxylate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
AC1NSV8Cmethyl 2,11-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-12-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Cas
22150-96-5
Herb
HBIN025714
Npass
NPC76274
Tcmid
7336
Tcmsp
MOL009335
Sym Map
SMIT10480SMIT15310
Pub Chem
5317208
Tcmbank
TCMBANKIN032077
Etcm Ingredient
Erythroculine
Itcmdb Generated
ITX-INGREDIENT-DFA43FD68933
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H25NO4/c1-23-15-5-4-14-7-9-21-8-6-13-10-18(24-2)16(19(22)25-3)11-17(13)20(14,21)12-15/h4,10-11,15H,5-9,12H2,1-3H3
Mol Wt
343.4230000000001
Cas Id
22150-96-5
Smiles
COC1CC=C2CCN3C2(C1)C4=C(CC3)C=C(C(=C4)C(=O)OC)OC
Mol Log P
2.674100000000001
Version
v1,v2
In Ch Ikey
PPFOELFAZNRRHY-UHFFFAOYSA-N
Ob Score
63.363622863.36362363.364
Suppress
1
Num Hdonors
0
Drug Likeness
0.624
Num Hacceptors
5
Isomeric Smiles
COC1CC=C2CCN3C2(C1)C4=CC(=C(C=C4CC3)OC)C(=O)OC
Molecule Weight
343.46
Canonical Smiles
COC1CC=C2CCN3C2(C1)C4=CC(=C(C=C4CC3)OC)C(=O)OC
Molecular Weight
343.180
Molecular Weight
343.42
Molecule Formula
C20H25NO4
Molecular Formula
C20H25NO4
Molecular Formula
C20H25NO4
Molecular Formula
C20H25NO4
Num Rotatable Bonds
3
Link Ingredient Id
10480.0
Fda Maximum Daily Dose (Fdamdd)
0.945
Quantitative Estimate Of Drug Likeness（Qed）
0.624