Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15238
- Core Entity Id
- 20103
- Source Entity Count
- 1
- Preferred Name
- Coroglaucigenin
- Name En
- Pubchem Id
- 12302399
- Smiles Canonical
- CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5C3(CCC(C5)O)CO
- Molecular Formula
- C23H34O5
- Molecular Weight
- 390.5200
- Inchikey
- CDMVQQAHEQVSMF-AULARHRYSA-N
- Inchi
- InChI=1S/C23H34O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10,15-19,24-25,27H,2-9,11-13H2,1H3/t15-,16-,17+,18-,19+,21+,22+,23-/m0/s1
- Isomeric Smiles
- C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)O)CO
- Cas Id
- Ob Score
- Mol Logp
- 2.5767
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coroglaucigenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Coroglaucigenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Coroglaucigenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
coroglaucigenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3.BETA.,5.ALPHA.)-3,14,19-TRIHYDROXYCARD-20(22)-ENOLIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3.BETA.,5.ALPHA.)-3,14,19-TRIHYDROXYCARD-20(22)-ENOLIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
3-beta,14,19-Trihydroxy-5-alpha-card-20(22)-enolide
Role
alias
Source
HERB_v2
Preferred
No
Name
3-beta,14,19-Trihydroxy-5-alpha-card-20(22)-enolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
468-19-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
468-19-9
Role
alias
Source
HERB_v2
Preferred
No
Name
5-alpha-CARD-20(22)-ENOLIDE, 3-beta,14,19-TRIHYDROXY-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5alpha-Card-20(22)-enolide, 3beta,14,19-trihydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Card-20(22)-enolide, 3,14,19-trihydroxy-, (3-beta,5-alpha)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Card-20(22)-enolide, 3,14,19-trihydroxy-, (3-beta,5-alpha)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 144150
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-144150
Role
alias
Source
itcmdb_public
Preferred
No
Name
VN7G3DMZ7D
Role
alias
Source
HERB_v2
Preferred
No
Name
VN7G3DMZ7D
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3.BETA.,5.ALPHA.)-3,14,19-TRIHYDROXYCARD-20(22)-ENOLIDE3-beta,14,19-Trihydroxy-5-alpha-card-20(22)-enolide468-19-95-alpha-CARD-20(22)-ENOLIDE, 3-beta,14,19-TRIHYDROXY-5alpha-Card-20(22)-enolide, 3beta,14,19-trihydroxy-Card-20(22)-enolide, 3,14,19-trihydroxy-, (3-beta,5-alpha)-NSC 144150NSC-144150VN7G3DMZ7D
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021509
Npass
NPC222875
Tcmid
4077
Pub Chem
12302399
Tcmbank
TCMBANKIN000089
Etcm Ingredient
Coroglaucigenin
Itcmdb Generated
ITX-INGREDIENT-DF1E483F0742
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H34O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10,15-19,24-25,27H,2-9,11-13H2,1H3/t15-,16-,17+,18-,19+,21+,22+,23-/m0/s1
Mol Wt
390.5200000000002
Smiles
CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5C3(CCC(C5)O)CO
Mol Log P
2.576700000000001
In Ch Ikey
CDMVQQAHEQVSMF-AULARHRYSA-N
Num Hdonors
3
Drug Likeness
0.631
Num Hacceptors
5
Isomeric Smiles
C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)O)CO
Canonical Smiles
CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5C3(CCC(C5)O)CO
Herb Alias Names
VN7G3DMZ7D468-19-9NSC 144150NSC-1441503-beta,14,19-Trihydroxy-5-alpha-card-20(22)-enolide5alpha-Card-20(22)-enolide, 3beta,14,19-trihydroxy-5-alpha-CARD-20(22)-ENOLIDE, 3-beta,14,19-TRIHYDROXY-(3.BETA.,5.ALPHA.)-3,14,19-TRIHYDROXYCARD-20(22)-ENOLIDECard-20(22)-enolide, 3,14,19-trihydroxy-, (3-beta,5-alpha)-
Molecular Weight
390.240
Molecular Weight
390.5 g/mol
Molecular Formula
C23H34O5
Molecular Formula
C23H34O5
Molecular Formula
C23H34O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.907
Quantitative Estimate Of Drug Likeness（Qed）
0.619