Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19241
- Core Entity Id
- 24565
- Source Entity Count
- 1
- Preferred Name
- Flavidusin b
- Name En
- Pubchem Id
- 15381690
- Smiles Canonical
- CC1(CCCC2(C1CCC3=C2CCC4(C3OCC4O)C)C)C
- Molecular Formula
- C20H32O2
- Molecular Weight
- 304.4740
- Inchikey
- NNCAOPKALYJMLU-OIGVQNGMSA-N
- Inchi
- InChI=1S/C20H32O2/c1-18(2)9-5-10-19(3)14-8-11-20(4)16(21)12-22-17(20)13(14)6-7-15(18)19/h15-17,21H,5-12H2,1-4H3/t15-,16-,17+,19+,20-/m0/s1
- Isomeric Smiles
- C[C@]12CCCC([C@@H]1CCC3=C2CC[C@@]4([C@@H]3OC[C@@H]4O)C)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.4692
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Flavidusin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Flavidusin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
flavidusin b
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026541
Npass
NPC272163
Tcmid
7812
Pub Chem
15381690
Tcmbank
TCMBANKIN047117
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O2/c1-18(2)9-5-10-19(3)14-8-11-20(4)16(21)12-22-17(20)13(14)6-7-15(18)19/h15-17,21H,5-12H2,1-4H3/t15-,16-,17+,19+,20-/m0/s1
Mol Wt
304.474
Smiles
CC1(CCCC2(C1CCC3=C2CCC4(C3OCC4O)C)C)C
Mol Log P
4.469200000000004
In Ch Ikey
NNCAOPKALYJMLU-OIGVQNGMSA-N
Mol2 Path
/TCM_database/2007_3d_all/07813.mol2
Reference
4067
Num Hdonors
1
Drug Likeness
0.669
Num Hacceptors
2
Isomeric Smiles
C[C@]12CCCC([C@@H]1CCC3=C2CC[C@@]4([C@@H]3OC[C@@H]4O)C)(C)C
Canonical Smiles
CC1(CCCC2(C1CCC3=C2CCC4(C3OCC4O)C)C)C
Molecular Weight
304.5 g/mol
Molecular Formula
C20H32O2
Molecular Formula
C20H32O2
Num Rotatable Bonds
0