IngredientID 41671
[(3S,4Ar,6Ar,6Ar,6Br,8Ar,12S,12Ar,14Ar,14Br)-4,4,6A,6B,8A,12,14B-Heptamethyl-11-Methylene-1,2,3,4A,5,6,6A,7,8,9,10,12,12A,13,14,14A-Hexadecahydropicen-3-Yl] Hexadecanoate
C46H80O2
Relationship Network
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Herb: 1Ingredient: 1Target: 2Links: 5
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 41671
- Core Entity Id
- 84682
- Source Entity Count
- 1
- Preferred Name
- [(3S,4Ar,6Ar,6Ar,6Br,8Ar,12S,12Ar,14Ar,14Br)-4,4,6A,6B,8A,12,14B-Heptamethyl-11-Methylene-1,2,3,4A,5,6,6A,7,8,9,10,12,12A,13,14,14A-Hexadecahydropicen-3-Yl] Hexadecanoate
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C46H80O2
- Molecular Weight
- 665.2600
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 33.8431
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
[(3S,4Ar,6Ar,6Ar,6Br,8Ar,12S,12Ar,14Ar,14Br)-4,4,6A,6B,8A,12,14B-Heptamethyl-11-Methylene-1,2,3,4A,5,6,6A,7,8,9,10,12,12A,13,14,14A-Hexadecahydropicen-3-Yl] Hexadecanoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoate
Role
alias
Source
TCMBank
Preferred
No
Name
hexadecanoic acid [(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] ester
Role
alias
Source
TCMBank
Preferred
No
Name
palmitic acid [(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] ester
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoatehexadecanoic acid [(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] esterpalmitic acid [(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] ester
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009624
Tcmbank
TCMBANKIN005302
Etcm Ingredient
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoate
Itcmdb Generated
ITX-INGREDIENT-560B59258DEF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
33.84308933.84308931
Suppress
0
Molecule Weight
665.26
Molecular Weight
664.620
Molecular Weight
665.26
Molecular Formula
C46H80O2
Fda Maximum Daily Dose (Fdamdd)
0.767
Quantitative Estimate Of Drug Likeness（Qed）
0.099