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
- 30129
- Core Entity Id
- 36674
- Source Entity Count
- 1
- Preferred Name
- Pisiferol
- Name En
- Pubchem Id
- 185553
- Smiles Canonical
- CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)CO)O
- Molecular Formula
- C20H30O2
- Molecular Weight
- 302.4580
- Inchikey
- NKGGFTFDYGTUSL-ICSRJNTNSA-N
- Inchi
- InChI=1S/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,4)8-5-9-20(18,12-21)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3/t18-,20-/m0/s1
- Isomeric Smiles
- CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)CO)O
- Cas Id
- Ob Score
- Mol Logp
- 4.5182
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pisiferol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pisiferol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pisiferol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
日本花柏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN HUA BAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sawara False Cypress
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Pisiferol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Pisiferol
Role
alias
Source
HERB_v2
Preferred
No
Name
24035-36-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
24035-36-7
Role
alias
Source
HERB_v2
Preferred
No
Name
Abieta-8(14),9(11),12-triene-12,20-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
Abieta-8(14),9(11),12-triene-12,20-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL193987
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL193987
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30946886
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30946886
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本花柏RI BEN HUA BAISawara False Cypress(+)-Pisiferol24035-36-7Abieta-8(14),9(11),12-triene-12,20-diolCHEMBL193987DTXSID30946886
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040141
Npass
NPC172219
Tcmid
17477
Pub Chem
185553
Tcmbank
TCMBANKIN048259
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,4)8-5-9-20(18,12-21)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3/t18-,20-/m0/s1
Mol Wt
302.4579999999999
Mol Log P
4.518200000000006
In Ch Ikey
NKGGFTFDYGTUSL-ICSRJNTNSA-N
Tcm Name
日本花柏
Tcm Name2
RI BEN HUA BAI
Mol2 Path
/TCM_database/2007_3d_all/17491.mol2
Reference
900, 4144
Num Hdonors
2
Tcm Name En
Sawara False Cypress
Drug Likeness
0.843
Num Hacceptors
2
Isomeric Smiles
CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)CO)O
Canonical Smiles
CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)CO)O
Herb Alias Names
(+)-Pisiferol24035-36-7CHEMBL193987DTXSID30946886Abieta-8(14),9(11),12-triene-12,20-diol
Molecular Weight
302.5 g/mol
Molecular Formula
C20H30O2
Num Rotatable Bonds
2