Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18443
- Core Entity Id
- 23679
- Source Entity Count
- 1
- Preferred Name
- Eriocarpin b
- Name En
- Pubchem Id
- 5322085
- Smiles Canonical
- CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2=O)O)C)C)(C)CO)O)C)C)C
- Molecular Formula
- C30H48O4
- Molecular Weight
- 472.7100
- Inchikey
- CAGJKBHKRIWRBO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H48O4/c1-25(2)14-15-26(3)19(16-25)18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-29(21,6)30(18,7)24(34)23(26)33/h8,19-22,24,31-32,34H,9-17H2,1-7H3
- Isomeric Smiles
- CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2=O)O)C)C)(C)CO)O)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.2911
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eriocarpin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eriocarpin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
eriocarpin b
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025584
Npass
NPC268682
Tcmid
7272
Pub Chem
5322085
Tcmbank
TCMBANKIN037188
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H48O4/c1-25(2)14-15-26(3)19(16-25)18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-29(21,6)30(18,7)24(34)23(26)33/h8,19-22,24,31-32,34H,9-17H2,1-7H3
Mol Wt
472.7100000000002
Smiles
CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2=O)O)C)C)(C)CO)O)C)C)C
Mol Log P
5.291100000000007
In Ch Ikey
CAGJKBHKRIWRBO-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/07273.mol2
Reference
665, 2262
Num Hdonors
3
Drug Likeness
0.453
Num Hacceptors
4
Isomeric Smiles
CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2=O)O)C)C)(C)CO)O)C)C)C
Canonical Smiles
CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(C(C2=O)O)C)C)(C)CO)O)C)C)C
Molecular Formula
C30H48O4
Molecular Formula
C30H48O4
Num Rotatable Bonds
1