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
- 33263
- Core Entity Id
- 40164
- Source Entity Count
- 1
- Preferred Name
- Shizuka-acoradienol
- Name En
- Pubchem Id
- 91714964
- Smiles Canonical
- CC1CCC(C12CCC(=CC2)CO)C(=C)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- KBMDEJULGPFFGC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H24O/c1-11(2)14-5-4-12(3)15(14)8-6-13(10-16)7-9-15/h6,12,14,16H,1,4-5,7-10H2,2-3H3
- Isomeric Smiles
- CC1CCC(C12CCC(=CC2)CO)C(=C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.6976
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Shizuka-acoradienol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Shizuka-acoradienol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Shizuka-acoradienol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Shizuka-acoradienol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
银线草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN XIAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanise Chloranthus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
((1R,4S,5R)-1-Methyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-en-8-yl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
((1R,4S,5R)-1-Methyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-en-8-yl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
.beta.-Acoradienol
Role
alias
Source
itcmdb_public
Preferred
No
Name
.beta.-Acoradienol
Role
alias
Source
HERB_v2
Preferred
No
Name
KBMDEJULGPFFGC-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
KBMDEJULGPFFGC-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spiro[4.5]dec-7-ene-8-methanol, 1-methyl-4-(1-methylethenyl)-, (1R,4S,5R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spiro[4.5]dec-7-ene-8-methanol, 1-methyl-4-(1-methylethenyl)-, (1R,4S,5R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Spiro[4.5]dec-7-ene-8-methanol, 1-methyl-4-(1-methylethenyl)-, [1R-(1.alpha.,4.beta.,5.alpha.)]-
Role
alias
Source
HERB_v2
Preferred
No
Name
Spiro[4.5]dec-7-ene-8-methanol, 1-methyl-4-(1-methylethenyl)-, [1R-(1.alpha.,4.beta.,5.alpha.)]-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
银线草YIN XIAN CAOJapanise Chloranthus((1R,4S,5R)-1-Methyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-en-8-yl)methanol.beta.-AcoradienolKBMDEJULGPFFGC-UHFFFAOYSA-NSpiro[4.5]dec-7-ene-8-methanol, 1-methyl-4-(1-methylethenyl)-, (1R,4S,5R)-Spiro[4.5]dec-7-ene-8-methanol, 1-methyl-4-(1-methylethenyl)-, [1R-(1.alpha.,4.beta.,5.alpha.)]-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043931
Npass
NPC58948
Tcmid
19824
Pub Chem
91714964
Tcmbank
TCMBANKIN039301
Etcm Ingredient
Shizuka-acoradienol
Itcmdb Generated
ITX-INGREDIENT-FAFD95617AA7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O/c1-11(2)14-5-4-12(3)15(14)8-6-13(10-16)7-9-15/h6,12,14,16H,1,4-5,7-10H2,2-3H3
Mol Wt
220.356
Mol Log P
3.697600000000002
In Ch Ikey
KBMDEJULGPFFGC-UHFFFAOYSA-N
Tcm Name
银线草
Tcm Name2
YIN XIAN CAO
Mol2 Path
/TCM_database/2007_3d_all/19839.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Japanise Chloranthus
Drug Likeness
0.704
Num Hacceptors
1
Isomeric Smiles
CC1CCC(C12CCC(=CC2)CO)C(=C)C
Canonical Smiles
CC1CCC(C12CCC(=CC2)CO)C(=C)C
Herb Alias Names
.beta.-AcoradienolKBMDEJULGPFFGC-UHFFFAOYSA-N((1R,4S,5R)-1-Methyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-en-8-yl)methanolSpiro[4.5]dec-7-ene-8-methanol, 1-methyl-4-(1-methylethenyl)-, (1R,4S,5R)-Spiro[4.5]dec-7-ene-8-methanol, 1-methyl-4-(1-methylethenyl)-, [1R-(1.alpha.,4.beta.,5.alpha.)]-
Molecular Weight
220.180
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.623
Quantitative Estimate Of Drug Likeness（Qed）
0.704